Charge transfer and weak bonding between molecular oxygen and graphene zigzag edges at low temperatures

Electron paramagnetic resonance (EPR) study of air-physisorbed defective carbon nano-onions evidences in favor of microwave assisted formation of weakly-bound paramagnetic complexes comprising negatively-charged O2- ions and edge carbon atoms carrying pi-electronic spins. These complexes being located on the graphene edges are stable at low temperatures but irreversibly dissociate at temperatures above 50-60 K. These EPR findings are justified by density functional theory (DFT) calculations demonstrating transfer of an electron from the zigzag edge of graphene-like material to oxygen molecule physisorbed on the graphene sheet edge. This charge transfer causes changing the spin state of the adsorbed oxygen molecule from S = 1 to S = 1/2 one. DFT calculations show significant changes of adsorption energy of oxygen molecule and robustness of the charge transfer to variations of the graphene-like substrate morphology (flat and corrugated mono- and bi-layered graphene) as well as edges passivation. The presence of H- and COOH- terminated edge carbon sites with such corrugated substrate morphology allows formation of ZE-O2- paramagnetic complexes characterized by small (<50 meV) binding energies and also explains their irreversible dissociation as revealed by EPR.Comment: 28 pages, 8 figures, 2 tables, accepted in Carbon journa

On the Lipschitz continuity of spectral bands of Harper-like and magnetic Schroedinger operators

We show for a large class of discrete Harper-like and continuous magnetic Schrodinger operators that their band edges are Lipschitz continuous with respect to the intensity of the external constant magnetic field. We generalize a result obtained by J. Bellissard in 1994, and give examples in favor of a recent conjecture of G. Nenciu.Comment: 15 pages, accepted for publication in Annales Henri Poincar

Persistent Currents in the Presence of a Transport Current

We have considered a system of a metallic ring coupled to two electron reservoirs. We show that in the presence of a transport current, the persistent current can flow in a ring, even in the absence of magnetic field. This is purely a quantum effect and is related to the current magnification in the loop. These persistent currents can be observed if one tunes the Fermi energy near the antiresonances of the total transmission coefficient or the two port conductance.Comment: To appear in Phys. Rev. B. Three figures available on reques

Magneto-transport in periodic and quasiperiodic arrays of mesoscopic rings

We study theoretically the transmission properties of serially connected mesoscopic rings threaded by a magnetic flux. Within a tight-binding formalism we derive exact analytical results for the transmission through periodic and quasiperiodic Fibonacci arrays of rings of two different sizes. The role played by the number of scatterers in each arm of the ring is analyzed in some detail. The behavior of the transmission coefficient at a particular value of the energy of the incident electron is studied as a function of the magnetic flux (and vice versa) for both the periodic and quasiperiodic arrays of rings having different number of atoms in the arms. We find interesting resonance properties at specific values of the flux, as well as a power-law decay in the transmission coefficient as the number of rings increases, when the magnetic field is switched off. For the quasiperiodic Fibonacci sequence we discuss various features of the transmission characteristics as functions of energy and flux, including one special case where, at a special value of the energy and in the absence of any magnetic field, the transmittivity changes periodically as a function of the system size.Comment: 9 pages with 7 .eps figures included, submitted to PR

Observation of Magnetic Edge State and Dangling Bond State on Nanographene in Activated Carbon Fibers

The electronic structure of nanographene in pristine and fluorinated activated carbon fibers (ACFs) have been investigated with near-edge x-ray absorption fine structure (NEXAFS) and compared with magnetic properties we reported on previously. In pristine ACFs in which magnetic properties are governed by non-bonding edge states of the \pi-electron, a pre-peak assigned to the edge state was observed below the conduction electron {\pi}* peak close to the Fermi level in NEXAFS. Via the fluorination of the ACFs, an extra peak, which was assigned to the \sigma-dangling bond state, was observed between the pre-peak of the edge state and the {\pi}* peak in the NEXAFS profile. The intensities of the extra peak correlate closely with the spin concentration created upon fluorination. The combination of the NEXAFS and magnetic measurement results confirms the coexistence of the magnetic edge states of \pi-electrons and dangling bond states of \sigma-electrons on fluorinated nanographene sheets.Comment: 4 figures, to appear in Phys. Rev.

Habitable Climates: The Influence of Eccentricity

In the outer regions of the habitable zone, the risk of transitioning into a globally frozen "snowball" state poses a threat to the habitability of planets with the capacity to host water-based life. We use a one-dimensional energy balance climate model (EBM) to examine how obliquity, spin rate, orbital eccentricity, and ocean coverage might influence the onset of such a snowball state. For an exoplanet, these parameters may be strikingly different from the values observed for Earth. Since, for constant semimajor axis, the annual mean stellar irradiation scales with (1-e^2)^(-1/2), one might expect the greatest habitable semimajor axis (for fixed atmospheric composition) to scale as (1-e^2)^(-1/4). We find that this standard ansatz provides a reasonable lower bound on the outer boundary of the habitable zone, but the influence of obliquity and ocean fraction can be profound in the context of planets on eccentric orbits. For planets with eccentricity 0.5, our EBM suggests that the greatest habitable semimajor axis can vary by more than 0.8 AU (78%!) depending on obliquity, with higher obliquity worlds generally more stable against snowball transitions. One might also expect that the long winter at an eccentric planet's apoastron would render it more susceptible to global freezing. Our models suggest that this is not a significant risk for Earth-like planets around Sun-like stars since such planets are buffered by the thermal inertia provided by oceans covering at least 10% of their surface. Since planets on eccentric orbits spend much of their year particularly far from the star, such worlds might turn out to be especially good targets for direct observations with missions such as TPF-Darwin. Nevertheless, the extreme temperature variations achieved on highly eccentric exo-Earths raise questions about the adaptability of life to marginally or transiently habitable conditions.Comment: References added, text and figures updated, accepted by Ap

A deeply branching thermophilic bacterium with an ancient acetyl-CoA pathway dominates a subsurface ecosystem

<div><p>A nearly complete genome sequence of <em>Candidatus</em> ‘Acetothermum autotrophicum’, a presently uncultivated bacterium in candidate division OP1, was revealed by metagenomic analysis of a subsurface thermophilic microbial mat community. Phylogenetic analysis based on the concatenated sequences of proteins common among 367 prokaryotes suggests that <em>Ca.</em> ‘A. autotrophicum’ is one of the earliest diverging bacterial lineages. It possesses a folate-dependent Wood-Ljungdahl (acetyl-CoA) pathway of CO₂ fixation, is predicted to have an acetogenic lifestyle, and possesses the newly discovered archaeal-autotrophic type of bifunctional fructose 1,6-bisphosphate aldolase/phosphatase. A phylogenetic analysis of the core gene cluster of the acethyl-CoA pathway, shared by acetogens, methanogens, some sulfur- and iron-reducers and dechlorinators, supports the hypothesis that the core gene cluster of <em>Ca.</em> ‘A. autotrophicum’ is a particularly ancient bacterial pathway. The habitat, physiology and phylogenetic position of <em>Ca.</em> ‘A. autotrophicum’ support the view that the first bacterial and archaeal lineages were H₂-dependent acetogens and methanogenes living in hydrothermal environments.</p> </div

Hard probes in heavy ion collisions at the LHC: heavy flavour physics

We present the results from the heavy quarks and quarkonia working group. This report gives benchmark heavy quark and quarkonium cross sections for $pp$ and $pA$ collisions at the LHC against which the $AA$ rates can be compared in the study of the quark-gluon plasma. We also provide an assessment of the theoretical uncertainties in these benchmarks. We then discuss some of the cold matter effects on quarkonia production, including nuclear absorption, scattering by produced hadrons, and energy loss in the medium. Hot matter effects that could reduce the observed quarkonium rates such as color screening and thermal activation are then discussed. Possible quarkonium enhancement through coalescence of uncorrelated heavy quarks and antiquarks is also described. Finally, we discuss the capabilities of the LHC detectors to measure heavy quarks and quarkonia as well as the Monte Carlo generators used in the data analysis.Comment: 126 pages Latex; 96 figures included. Subgroup report, to appear in the CERN Yellow Book of the workshop: Hard Probes in Heavy Ion Collisions at the LHC. See also http://a.home.cern.ch/f/frixione/www/hvq.html for a version with better quality for a few plot

Conductance and persistent current of a quantum ring coupled to a quantum wire under external fields

The electronic transport of a noninteracting quantum ring side-coupled to a quantum wire is studied via a single-band tunneling tight-binding Hamiltonian. We found that the system develops an oscillating band with antiresonances and resonances arising from the hybridization of the quasibound levels of the ring and the coupling to the quantum wire. The positions of the antiresonances correspond exactly to the electronic spectrum of the isolated ring. Moreover, for a uniform quantum ring the conductance and the persistent current density were found to exhibit a particular odd-even parity related with the ring-order. The effects of an in-plane electric field was also studied. This field shifts the electronic spectrum and damps the amplitude of the persistent current density. These features may be used to control externally the energy spectra and the amplitude of the persistent current.Comment: Revised version, 7 pages and 9 figures. To appear in Phys. Rev.